(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone

C22H23OP — CID 590903

IUPAC(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone
SMILESCC1(C)C2CC=C(C(=O)P(c3ccccc3)c3ccccc3)C1C2
InChIInChI=1S/C22H23OP/c1-22(2)16-13-14-19(20(22)15-16)21(23)24(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16,20H,13,15H2,1-2H3
InChIKeyOMHMZYWVNBOXJC-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.64
Rot. Bonds4

About (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone

(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone (PubChem CID 590903) has the molecular formula C22H23OP and a molecular weight of 334.40 g/mol. Its IUPAC name is (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone.

Molecular Properties

Compound Name(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone
PubChem CID590903
Molecular FormulaC22H23OP
Molecular Weight334.40 g/mol
Exact Mass334.15
IUPAC Name(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone
SMILESCC1(C)C2CC=C(C(=O)P(c3ccccc3)c3ccccc3)C1C2
InChIInChI=1S/C22H23OP/c1-22(2)16-13-14-19(20(22)15-16)21(23)24(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16,20H,13,15H2,1-2H3
InChIKeyOMHMZYWVNBOXJC-UHFFFAOYSA-N
XLogP4.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone?
The IUPAC name of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone (CID 590903) is (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone.
What is the SMILES notation for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone?
The canonical SMILES for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone is CC1(C)C2CC=C(C(=O)P(c3ccccc3)c3ccccc3)C1C2.
What is the InChIKey of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone?
The InChIKey is OMHMZYWVNBOXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23OP/c1-22(2)16-13-14-19(20(22)15-16)21(23)24(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,14,16,20H,13,15H2,1-2H3.
What are the key properties of (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone?
(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone has a molecular weight of 334.40 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)-diphenylphosphanylmethanone is sourced from PubChem (CID 590903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).